4-(aminomethyl)-N-(furan-3-ylmethyl)-N-methyloxepan-4-amine

C13H22N2O2 — CID 65079500

IUPAC4-(aminomethyl)-N-(furan-3-ylmethyl)-N-methyloxepan-4-amine
SMILESCN(Cc1ccoc1)C1(CN)CCCOCC1
InChIInChI=1S/C13H22N2O2/c1-15(9-12-3-7-17-10-12)13(11-14)4-2-6-16-8-5-13/h3,7,10H,2,4-6,8-9,11,14H2,1H3
InChIKeyIYLHRPYJGWMOLG-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.61
Rot. Bonds4

About 4-(aminomethyl)-N-(furan-3-ylmethyl)-N-methyloxepan-4-amine

4-(aminomethyl)-N-(furan-3-ylmethyl)-N-methyloxepan-4-amine (PubChem CID 65079500) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(furan-3-ylmethyl)-N-methyloxepan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(furan-3-ylmethyl)-N-methyloxepan-4-amine
PubChem CID65079500
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name4-(aminomethyl)-N-(furan-3-ylmethyl)-N-methyloxepan-4-amine
SMILESCN(Cc1ccoc1)C1(CN)CCCOCC1
InChIInChI=1S/C13H22N2O2/c1-15(9-12-3-7-17-10-12)13(11-14)4-2-6-16-8-5-13/h3,7,10H,2,4-6,8-9,11,14H2,1H3
InChIKeyIYLHRPYJGWMOLG-UHFFFAOYSA-N
XLogP1.61
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(furan-3-ylmethyl)-N-methyloxepan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(furan-3-ylmethyl)-N-methyloxepan-4-amine (CID 65079500) is 4-(aminomethyl)-N-(furan-3-ylmethyl)-N-methyloxepan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(furan-3-ylmethyl)-N-methyloxepan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(furan-3-ylmethyl)-N-methyloxepan-4-amine is CN(Cc1ccoc1)C1(CN)CCCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(furan-3-ylmethyl)-N-methyloxepan-4-amine?
The InChIKey is IYLHRPYJGWMOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-15(9-12-3-7-17-10-12)13(11-14)4-2-6-16-8-5-13/h3,7,10H,2,4-6,8-9,11,14H2,1H3.
What are the key properties of 4-(aminomethyl)-N-(furan-3-ylmethyl)-N-methyloxepan-4-amine?
4-(aminomethyl)-N-(furan-3-ylmethyl)-N-methyloxepan-4-amine has a molecular weight of 238.33 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(furan-3-ylmethyl)-N-methyloxepan-4-amine is sourced from PubChem (CID 65079500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).